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N-[1-[(adamantan-1-ylmethyl)-amino]-2,2,2-trifluoro-1-trifluoromethyl-ethyl]-2-fluoro-benzamide
SpectraBase Compound ID A5zNl4r6GTX
InChI InChI=1S/C21H23F7N2O/c22-16-4-2-1-3-15(16)17(31)30-19(20(23,24)25,21(26,27)28)29-11-18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14,29H,5-11H2,(H,30,31)/t12-,13+,14-,18-
InChIKey AVAVQKSMHAZLIJ-WXZYKRPKSA-N
Mol Weight 452.42 g/mol
Molecular Formula C21H23F7N2O
Exact Mass 452.169861 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4GObedhEwBT
Name benzamide, 2-fluoro-N-[2,2,2-trifluoro-1-[(tricyclo[3.3.1.1~3,7~]dec-1-ylmethyl)amino]-1-(trifluoromethyl)ethyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 452.169860509 u
Formula C21H23F7N2O
InChI InChI=1S/C21H23F7N2O/c22-16-4-2-1-3-15(16)17(31)30-19(20(23,24)25,21(26,27)28)29-11-18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14,29H,5-11H2,(H,30,31)/t12-,13+,14-,18-
InChIKey AVAVQKSMHAZLIJ-WXZYKRPKSA-N
Molecular Weight 452.417 g/mol
NMR Offset 17.9887
NMR Spectrometer Frequency 500.132
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_16345
Solvent CDCl3
Source Vendor ID: NMR/11250436; Lab Info: AU; Lab Number: AU-01040028